1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite κN:κP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

ALDRICH/691097 - 97%

Synonym: ThrePHOX; Ubaphox; [((4S,5S)-Ph₂-Ubaphox)Ir(COD)]BARF

CAS Number: 405235-55-4
Empirical Formula (Hill Notation): C₇₇H₅₈BF₂₄IrNO₂P
Molecular Weight: 1719.25
MDL Number: MFCD06658140
Linear Formula: C₇₇H₅₈BF₂₄IrNO₂P
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-691097-100MG	100 mg	$99.90 1/EA		Add To Favorites
45-691097-5G	5 g	$2780.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
form	lumps
InChI	1S/C37H34NO2P.C32H12BF24.C8H12.Ir/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-2-4-6-8-7-5-3-1;/h2-26,29,35H,27-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;+1/b;;2-1-,8-7-;/t29-,35-;;;/m0.../s1
InChI key	RWJSSAILCUYYLD-RDSUWHNOSA-N
optical purity	ee: ≥99%
Quality Level	100
SMILES string	[Ir+].[CH]1[CH]CC[CH][CH]CC1.C[C@@H]2OC(=N[C@@H]2C(Cc3ccccc3)(Cc4ccccc4)OP(c5ccccc5)c6ccccc6)c7ccccc7.FC(F)(F)c8cc(cc(c8)C(F)(F)F)[B-](c9cc(cc(c9)C(F)(F)F)C(F)(F)F)(c%10cc(cc(c%10)C(F)(F)F)C(F)(F)F)c%11cc(cc(c%11)C(F)(F)F)C(F)(F)F
storage temp.	2-8°C

Application:	Catalyst for enantioselective hydrogenation of alkenes
General description:	sold in collaboration with Solvias AG
Packaging:	1, 5 g in glass bottle
Packaging:	100, 500 mg in glass bottle
Packaging:	Bottomless glass bottle. Contents are inside inserted fused cone.

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	97%
Storage Temp.	2-8°C
UNSPSC	12352101

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